Proper Ferroelectricity in the Dion−Jacobson Material CsBi2Ti2NbO10: Experiment and Theory

[en] A diverse range of materials and properties are exhibited by layered perovskites. We report on the synthesis, characterization, and computational investigation of a new ferroelectric --CsBi2Ti2NbO10-- an n = 3 member of the Dion−Jacobson (DJ) family. Structural studies using variable temperature neutron powder diffraction indicate that a combination of octahedral rotations and polar displacements result in the polar structure. Density functional theory calculations reveal that the wider perovskite blocks in CsBi2Ti2NbO0 stabilize proper ferroelectricity, in contrast to the hybrid-improper ferroelectricity reported for all other DJ phases. Our results raise the possibility of a new class of proper ferroelectric materials analogous to the well-known Aurivillius phases.

Research Center/Unit :

PhyTheMa

Disciplines :

Physics

Author, co-author :

McCabe, E. E.

Bousquet, Eric ; Université de Liège > Département de physique > Physique théorique des matériaux

Stockdale, C. P. J.

Deacon, C. A.

Tran, T. T.

Halasyamani, P. S.

Stennett, M. C.

Hyatt, N. C.

Language :

English

Title :

Proper Ferroelectricity in the Dion−Jacobson Material CsBi2Ti2NbO10: Experiment and Theory

Publication date :

2015

Journal title :

Chemistry of Materials

ISSN :

0897-4756

eISSN :

1520-5002

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

Pages :

8298

Peer reviewed :

Peer Reviewed verified by ORBi

Tags :

Tier-1 supercomputer
CÉCI : Consortium des Équipements de Calcul Intensif

Additional URL :

http://pubs.acs.org/doi/10.1021/acs.chemmater.5b03564

Funding number :

CECI Grants No. 2.5020.11 and No. 1175545 Tier-1

Available on ORBi :

since 11 January 2016

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